SCHEMBL4137802

SCHEMBL4137802

Brc1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.80
MAPK1 P28482 3/20 0.80
TP53 P04637 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
HSD17B10 Q99714 2/20 0.44
HPGD P15428 2/20 0.44
BCL2L1 Q07817 1/20 0.44
CYP2A6 P11509 1/20 0.44
BACE1 P56817 1/20 0.40
PTGS2 P35354 1/20 0.40
DPP4 P27487 1/20 0.39
CRHBP P24387 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31115172 1.00 ALDH1A1 (0.80) ALDH1A1MAPK1TP53RAB9AMAPT
SCHEMBL3783794 1.00 ALDH1A1 (0.80) ALDH1A1MAPK1TP53RAB9AMAPT
Hydrogen Sulfide SCHEMBL27779497 0.97 ALDH1A1 (0.76) ALDH1A1MAPK1TP53RAB9AMAPT
SCHEMBL15197485 0.95 ALDH1A1 (0.73) ALDH1A1MAPK1TP53RAB9AMAPT
SCHEMBL30451936 0.89 ALDH1A1 (1.00) ALDH1A1MAPK1TP53RAB9AMAPT
SCHEMBL115115 0.89 ALDH1A1 (1.00) ALDH1A1MAPK1TP53RAB9AMAPT
Methane SCHEMBL10434104 0.86 ALDH1A1 (0.94) ALDH1A1MAPK1TP53RAB9AMAPT
SCHEMBL29213644 0.86 ALDH1A1 (0.94) ALDH1A1MAPK1TP53RAB9AMAPT
Water SCHEMBL2802174 0.86 ALDH1A1 (0.94) ALDH1A1MAPK1TP53RAB9AMAPT
Hydrochloric Acid SCHEMBL28530945 0.86 ALDH1A1 (0.94) ALDH1A1MAPK1TP53RAB9AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023223855-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-11-23 WO disclosed
EP-2665342-B1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND ILLUMINATOR MITSUBISHI CHEM CORP (JP) 2021-03-03 EP disclosed
US-20180123054-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY AND LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2018-05-03 US disclosed
US-9899606-B2 Composition for organic electroluminescent element, organic electroluminescent element, display and lighting MITSUBISHI CHEMICAL CORPORATION (JP) 2018-02-20 US disclosed
US-20160043325-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY AND LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-11 US disclosed
EP-2665342-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND ILLUMINATOR Mitsubishi Chemical Corporation (JP) 2013-11-20 EP disclosed
US-20090005557-A1 Electron-Conjugated Organic Silane Compound and Production Method Thereof SHARP KABUSHIKI KAISHA (JP) 2009-01-01 US disclosed
US-20070116982-A1 Host material for organic electroluminescent element and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2007-05-24 US disclosed
EP-1708547-A1 HOST MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2006-10-04 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090005557-A1 Electron-Conjugated Organic Silane Compound and Production Method Thereof MLX, RNF31, RPS4X ALDH1A1 2467/4885MAPK1 2429/4885TP53 2316/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.